SCHEMBL1856763

SCHEMBL1856763

COC(=O)Oc1ccc(C(=O)Nc2cc(CCc3cccc(OC)c3)n[nH]2)nc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ABCB1 P08183 2/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
THRB P10828 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
MAPT P10636 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ROCK2 O75116 2/20 0.38
CNR1 P21554 1/20 0.38
ROCK1 Q13464 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL64106 0.86 NR3C2 (0.44) NR3C2SMN1; SMN2ABCB1THRBCCNA2
SCHEMBL1861410 0.86 P4HTM (0.45) NR3C2ABCB1MAPTHDAC1ROCK2
SCHEMBL64524 0.85 ALDH1A1 (0.47) NR3C2SMN1; SMN2ABCB1THRBCCNA2
SCHEMBL1859162 0.84 ABCB1 (0.44) NR3C2SMN1; SMN2ABCB1MTNR1AMTNR1B
SCHEMBL64528 0.84 P4HTM (0.53) NR3C2ABCB1ROCK2ROCK1
SCHEMBL64697 0.84 ABCB1 (0.46) NR3C2SMN1; SMN2ABCB1HDAC1ROCK2
SCHEMBL64096 0.83 KCNQ3 (0.42) NR3C2SMN1; SMN2ABCB1MAPTROCK2
SCHEMBL63796 0.82 NR3C2 (0.41) NR3C2SMN1; SMN2ABCB1MTNR1BTHRB
SCHEMBL63192 0.81 ABCB1 (0.43) NR3C2SMN1; SMN2ABCB1MAPTROCK2
SCHEMBL63836 0.81 NR3C2 (0.49) NR3C2SMN1; SMN2ABCB1THRBCCNA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125748-B1 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2011-05-25 EP claimed